Quarterly Journal of the Chemical Society of London, Volume 7 |
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Page 1436
... orbital combinations are not fully determined in terms of the basis set . They may be parametrised in terms of an angle parameter , 0 , determining the relative weighting of p , and other A1 - type orbitals in the equa- torial bond orbital ...
... orbital combinations are not fully determined in terms of the basis set . They may be parametrised in terms of an angle parameter , 0 , determining the relative weighting of p , and other A1 - type orbitals in the equa- torial bond orbital ...
Page 1437
... orbital rises at the expense of d , the values being 0.741 and 0.259 . We conclude that in the perfectly - paired s2pd valence- state the 3d orbitals are diffuse and that if they are to contribute to bonding they will have to be ...
... orbital rises at the expense of d , the values being 0.741 and 0.259 . We conclude that in the perfectly - paired s2pd valence- state the 3d orbitals are diffuse and that if they are to contribute to bonding they will have to be ...
Page 1499
... orbital , we can estimate that the ligand np - orbitals lie some 2-3 ev lower in energy than the metal 3d - orbitals . Atomic spectra 20 and Hartree - Fock calculations 21 place the ligand ns - orbitals 10-20 ev lower still in energy ...
... orbital , we can estimate that the ligand np - orbitals lie some 2-3 ev lower in energy than the metal 3d - orbitals . Atomic spectra 20 and Hartree - Fock calculations 21 place the ligand ns - orbitals 10-20 ev lower still in energy ...
Contents
Inorganic physical and theoretical chemistry | 1001 |
J ROBINSON and C H L KENNARD | 1008 |
Nearestneighbour model for transfer of electronic excitation energy | 1016 |
Copyright | |
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absorption acid Acta adducts Amer anion aqueous assigned atoms band benzene bond calculated cancrinite carbon cation Chem chemical chemical shifts Chemistry chloride cm.¹ co-ordination cobalt(II complex compounds concentration configuration crystals density effect electron energy enthalpy equation equilibrium ethanol experimental Figure fluorine formation frequency H₂O hydrogen i.r. spectrum increase Inorg intensity interaction iron(II k₁ ligand linear magnetic measured metal methaemoglobins method methyl mixture modes mole mole-¹ molecular molecule n.m.r. spectra niobium nitrogen Nujol observed obtained orbitals oxidation oxygen parameters peak perchlorate perchloric acid phenyl phosphine phosphorus Phys potassium prepared present proton pyridine radical Raman rate constant reaction resonance ring room temperature salt sample shift shown sodalite sodium solid solution solvent species spectra structure studied sulphur symmetry Table thiocyanate tion trans tributyl phosphate triphenylphosphine values vanadium(IV vibrations X-ray zeolite